[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C19H20O3S MolecularWeight: 328.4253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC3=C(S2)CCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC3=C(S2)CCCC3)C

InChI

InChI=1S/C19H20O3S/c1-12-7-8-15(13(2)9-12)16(20)11-22-19(21)18-10-14-5-3-4-6-17(14)23-18/h7-10H,3-6,11H2,1-2H3